N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine

C54H36N2OS — CID 168814664

IUPACN-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine
SMILESC1=CC(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CC=C1c1cccc2oc3ccccc3c12
InChIInChI=1S/C54H36N2OS/c1-2-11-38(12-3-1)56-48-17-7-4-13-43(48)44-32-30-41(34-49(44)56)55(39-26-21-35(22-27-39)37-25-31-46-45-14-6-9-20-52(45)58-53(46)33-37)40-28-23-36(24-29-40)42-16-10-19-51-54(42)47-15-5-8-18-50(47)57-51/h1-28,30-34,40H,29H2
InChIKeySJYRFTLRWRDMGF-UHFFFAOYSA-N
MW760.96 g/mol
LogP15.27
Rot. Bonds6

About N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine

N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 168814664) has the molecular formula C54H36N2OS and a molecular weight of 760.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine
PubChem CID168814664
Molecular FormulaC54H36N2OS
Molecular Weight760.96 g/mol
Exact Mass760.25
IUPAC NameN-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine
SMILESC1=CC(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CC=C1c1cccc2oc3ccccc3c12
InChIInChI=1S/C54H36N2OS/c1-2-11-38(12-3-1)56-48-17-7-4-13-43(48)44-32-30-41(34-49(44)56)55(39-26-21-35(22-27-39)37-25-31-46-45-14-6-9-20-52(45)58-53(46)33-37)40-28-23-36(24-29-40)42-16-10-19-51-54(42)47-15-5-8-18-50(47)57-51/h1-28,30-34,40H,29H2
InChIKeySJYRFTLRWRDMGF-UHFFFAOYSA-N
XLogP15.27
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.96
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814676
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 168814654
9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170276632
N-[4-(9-cyclohexa-2,4-dien-1-yl-4a,9a-dihydrocarbazol-2-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-2,4-dien-1-yl)dibenzofuran-3-amine
CID 168814393
4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
CID 170128535
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
7-carbazol-9-yl-N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 168803972
N-(5-dibenzofuran-1-ylnaphthalen-1-yl)-N-dibenzothiophen-4-yl-9-phenylcarbazol-2-amine
CID 168814345
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033935
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine (CID 168814664) is N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine is C1=CC(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CC=C1c1cccc2oc3ccccc3c12.
What is the InChIKey of N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine?
The InChIKey is SJYRFTLRWRDMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS/c1-2-11-38(12-3-1)56-48-17-7-4-13-43(48)44-32-30-41(34-49(44)56)55(39-26-21-35(22-27-39)37-25-31-46-45-14-6-9-20-52(45)58-53(46)33-37)40-28-23-36(24-29-40)42-16-10-19-51-54(42)47-15-5-8-18-50(47)57-51/h1-28,30-34,40H,29H2.
What are the key properties of N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine?
N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine has a molecular weight of 760.96 g/mol, XLogP of 15.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 168814664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).